element(s):
['He']
AFLOW prototype label:
A_hP1_191_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.8028', '0.97641644']
model name:
Sim_LAMMPS_Hybrid_DuanXieGuo_2019__SM_016305073020_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['He']
representative atom coordinates =  [[0 0 0]]
spacegroup =  191
cell =  [[2.8028, 0, 0], [-1.4014, 2.427296001727, 0], [0, 0, 2.7367]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:13:19       -7.233482        3.8660
BFGS:    1 14:13:19       -7.443578        2.1239
BFGS:    2 14:13:19       -7.422817        3.2270
BFGS:    3 14:13:19       -7.471574        0.3828
BFGS:    4 14:13:19       -7.472338        0.0570
BFGS:    5 14:13:19       -7.472355        0.0014
BFGS:    6 14:13:19       -7.472355        0.0000
BFGS:    7 14:13:20       -7.472355        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.0545669577574333e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['He']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.7412184155857657, 1.6133897975335028e-18, 1.886052477815517e-36], [-1.3706092077928829, 2.373964785219002, 2.5466885003279927e-36], [-7.929220268495947e-35, 6.433706404635554e-35, 2.532970387295865]])
forces =  [[0. 0. 0.]]
stress =  [ 3.05456696e-10  3.05456696e-10  5.27490893e-12  2.66903860e-35
  4.62291046e-35 -1.68160270e-25]
energy per atom =  -7.472355021344384
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0